Systematic / IUPAC Name: 4-[(2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
ID: Reference4529
Other Names: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[(2-{[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl)methyl]hexahydro-
Formula: C28H36N4O2S
Class: Therapeutics/Prescription Drugs
Lurasidone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 189 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | APCI |
Analyzers | FT |
Last Modification | 4/12/2016 2:04:41 PM |
InChI | InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2 |
InChI Key | PQXKDMSYBGKCJA-UHFFFAOYSA-N |
Canonical SMILES | C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O |
CAS | |
Splash | |
Other Names | 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[(2-{[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl)methyl]hexahydro- |
Wikipedia | Lurasidone |
ChemSpider | 21239903; 28569729 |
PubChem | 44210114 |